element(s):
['Mg']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5733']
model name:
MEAM_LAMMPS_KimJeonLee_2015_MgCa__MO_611309973581_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.5733, 0, 0], [0, 3.5733, 0], [0, 0, 3.5733]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:59:52        1.382400       10.0693
BFGS:    1 17:59:52        0.042568        7.8683
BFGS:    2 17:59:52       -0.998126        6.0684
BFGS:    3 17:59:52       -1.794589        4.6015
BFGS:    4 17:59:52       -2.392377        3.4108
BFGS:    5 17:59:52       -2.829222        2.4484
BFGS:    6 17:59:52       -3.136312        1.6746
BFGS:    7 17:59:52       -3.339372        1.0563
BFGS:    8 17:59:52       -3.459572        0.5656
BFGS:    9 17:59:52       -3.514292        0.1797
BFGS:   10 17:59:52       -3.521521        0.0302
BFGS:   11 17:59:52       -3.521748        0.0021
BFGS:   12 17:59:52       -3.521750        0.0000
BFGS:   13 17:59:52       -3.521750        0.0000
BFGS:   14 17:59:52       -3.521750        0.0000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.469868342515778e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.427938423398415, -2.589861544631485e-32, 6.554943257648551e-33], [-1.599206813172623e-32, 4.427938423398415, 7.571916346856506e-17], [-7.119148255155414e-33, 7.571916346856505e-17, 4.427938423398415]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.46986834e-15 -8.46986834e-15 -8.46986834e-15  2.54996509e-33
 -8.18570509e-36 -1.52104807e-52]
energy per atom =  -1.7608748056606585
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0